2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione

C44H50FN5O6 — CID 177085010

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 177085010) has the molecular formula C44H50FN5O6 and a molecular weight of 763.91 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 177085010
• Molecular Formula: C44H50FN5O6
• Molecular Weight: 763.91 g/mol
• Exact Mass: 763.37
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc([C@H]7c8ccc(O)cc8CC[C@H]7C7CCOCC7)cc6F)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C44H50FN5O6/c45-37-24-30(41-33(28-13-21-56-22-14-28)5-1-29-23-32(51)4-7-34(29)41)2-8-38(37)49-15-11-27(12-16-49)26-47-17-19-48(20-18-47)31-3-6-35-36(25-31)44(55)50(43(35)54)39-9-10-40(52)46-42(39)53/h2-4,6-8,23-25,27-28,33,39,41,51H,1,5,9-22,26H2,(H,46,52,53)/t33-,39?,41+/m0/s1
• InChIKey: XTGCLXQQOSIQKD-JJXRXQJQSA-N
• XLogP: 5.09
• TPSA: 122.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.91
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (CID 177085010) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc([C@H]7c8ccc(O)cc8CC[C@H]7C7CCOCC7)cc6F)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is XTGCLXQQOSIQKD-JJXRXQJQSA-N. The full InChI is InChI=1S/C44H50FN5O6/c45-37-24-30(41-33(28-13-21-56-22-14-28)5-1-29-23-32(51)4-7-34(29)41)2-8-38(37)49-15-11-27(12-16-49)26-47-17-19-48(20-18-47)31-3-6-35-36(25-31)44(55)50(43(35)54)39-9-10-40(52)46-42(39)53/h2-4,6-8,23-25,27-28,33,39,41,51H,1,5,9-22,26H2,(H,46,52,53)/t33-,39?,41+/m0/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 763.91 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(1S,2S)-6-hydroxy-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 177085010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).